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ASINEX-ZINC01359557

 MMsINC code: MMs00245690
Type: Neutral
Formula: C20H20FN3O3S
SMILES:   S(=O)(=O)(N1CC(CCC1)c1onc(n1)-c1ccc(F)cc1)Cc1ccccc1
InChI:   InChI=1/C20H20FN3O3S/c21-18-10-8-16(9-11-18)19-22-20(27-23-19)17-7-4-12-24(13-17)28(25,26)14-15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-14H2/t17-/m1/s1

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Potential Energy
Epot(MMFF94)=76.9265 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 401.462 g/mol  logS: -5.59262  SlogP: 3.8515  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0483285  Sterimol/B1: 2.85181  Sterimol/B2: 3.4741  Sterimol/B3: 3.86734
  Sterimol/B4: 8.54095  Sterimol/L: 19.0424 
 
 Surface and Volume Properties
  Accessible surface: 651.458  Positive charged surface: 354.591  Negative charged surface: 296.867  Volume: 354.5
  Hydrophobic surface: 554.755  Hydrophilic surface: 96.703
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.